(6Z,8Z,10Z)-2,3,4,4a,5,11b-hexahydro-1H-cycloocta[b]indole

C14H17N — CID 91870301

IUPAC(6Z,8Z,10Z)-2,3,4,4a,5,11b-hexahydro-1H-cycloocta[b]indole
SMILESC1=C\C=C/C2=C(\C=C/1)NC1CCCCC21
InChIInChI=1S/C14H17N/c1-2-4-9-13-11(7-3-1)12-8-5-6-10-14(12)15-13/h1-4,7,9,12,14-15H,5-6,8,10H2/b2-1-,3-1-,4-2-,7-3-,9-4-,11-7-,13-9+
InChIKeyVUOVNKNJZCUABT-JTKGGIRCSA-N
MW199.30 g/mol
LogP3.08
Rot. Bonds

About (6Z,8Z,10Z)-2,3,4,4a,5,11b-hexahydro-1H-cycloocta[b]indole

(6Z,8Z,10Z)-2,3,4,4a,5,11b-hexahydro-1H-cycloocta[b]indole (PubChem CID 91870301) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (6Z,8Z,10Z)-2,3,4,4a,5,11b-hexahydro-1H-cycloocta[b]indole.

Molecular Properties

Compound Name(6Z,8Z,10Z)-2,3,4,4a,5,11b-hexahydro-1H-cycloocta[b]indole
PubChem CID91870301
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(6Z,8Z,10Z)-2,3,4,4a,5,11b-hexahydro-1H-cycloocta[b]indole
SMILESC1=C\C=C/C2=C(\C=C/1)NC1CCCCC21
InChIInChI=1S/C14H17N/c1-2-4-9-13-11(7-3-1)12-8-5-6-10-14(12)15-13/h1-4,7,9,12,14-15H,5-6,8,10H2/b2-1-,3-1-,4-2-,7-3-,9-4-,11-7-,13-9+
InChIKeyVUOVNKNJZCUABT-JTKGGIRCSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6Z,8Z,10Z)-2,3,4,4a,5,11b-hexahydro-1H-cycloocta[b]indole?
The IUPAC name of (6Z,8Z,10Z)-2,3,4,4a,5,11b-hexahydro-1H-cycloocta[b]indole (CID 91870301) is (6Z,8Z,10Z)-2,3,4,4a,5,11b-hexahydro-1H-cycloocta[b]indole.
What is the SMILES notation for (6Z,8Z,10Z)-2,3,4,4a,5,11b-hexahydro-1H-cycloocta[b]indole?
The canonical SMILES for (6Z,8Z,10Z)-2,3,4,4a,5,11b-hexahydro-1H-cycloocta[b]indole is C1=C\C=C/C2=C(\C=C/1)NC1CCCCC21.
What is the InChIKey of (6Z,8Z,10Z)-2,3,4,4a,5,11b-hexahydro-1H-cycloocta[b]indole?
The InChIKey is VUOVNKNJZCUABT-JTKGGIRCSA-N. The full InChI is InChI=1S/C14H17N/c1-2-4-9-13-11(7-3-1)12-8-5-6-10-14(12)15-13/h1-4,7,9,12,14-15H,5-6,8,10H2/b2-1-,3-1-,4-2-,7-3-,9-4-,11-7-,13-9+.
What are the key properties of (6Z,8Z,10Z)-2,3,4,4a,5,11b-hexahydro-1H-cycloocta[b]indole?
(6Z,8Z,10Z)-2,3,4,4a,5,11b-hexahydro-1H-cycloocta[b]indole has a molecular weight of 199.30 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z,10Z)-2,3,4,4a,5,11b-hexahydro-1H-cycloocta[b]indole is sourced from PubChem (CID 91870301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).